SCHEMBL29205296

SCHEMBL29205296

NNc1ncnc2cc(F)ccc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.45
USP10 Q14694 1/20 0.45
PIK3C3 Q8NEB9 1/20 0.45
USP13 Q92995 1/20 0.45
FGFR1 P11362 1/20 0.43
FLT1 P17948 1/20 0.43
KDR P35968 1/20 0.43
FERMT2 Q96AC1 1/20 0.42
MKNK1 Q9BUB5 1/20 0.40
HTT P42858 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5568259 0.79 EGFR (0.65) EGFRMEN1KMT2AABCG2
SCHEMBL29205283 0.79 KDM4E (0.54) EGFRMEN1KMT2AHTT
SCHEMBL5569052 0.77 EGFR (0.70) EGFRABCG2KDRHTT
SCHEMBL4365946 0.77 MAP4K4 (0.65) EGFRMEN1KMT2AUSP10PIK3C3
SCHEMBL2776717 0.77 IRAK4 (0.57) MEN1KMT2A
Hydrochloric Acid SCHEMBL11087812 0.76 EGFR (0.68) EGFRABCG2KDRHTT
SCHEMBL29728044 0.76 MAP4K4 (0.59) EGFRFERMT2
SCHEMBL2774951 0.76 MAP4K4 (0.59) EGFRFERMT2
SCHEMBL5568844 0.74 KDR (0.64) EGFRABCG2FGFR1FLT1KDR
SCHEMBL28938266 0.73 MEN1 (0.48) EGFRMEN1KMT2AABCG2FGFR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117999075-A Compounds and pharmaceutical compositions comprising inhibitors of amyloid peptide interaction with glycosaminoglycans, methods of treatment, and uses thereof 吉斯莫治疗股份有限公司 2024-05-07 CN disclosed